Vitas-M small molecule compound
4-(2,6-difluorophenyl)-2,6-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK642411
SMILES OC1=Nc2n[nH]cc2C(SC1)c1c(F)cccc1F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C12H9F2N3OS MW 281.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9F2N3OS/c13-7-2-1-3-8(14)10(7)11-6-4-15-17-12(6)16-9(18)5-19-11/h1-4,11H,5H2,(H2,15,16,17,18)InChIKey
XTHOJSGSOPKJJN-UHFFFAOYSA-NSynonyms
1170592-22-91170592229
4(26difluorophenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(26difluorophenyl)26dihydro4Hpyrazolo(34e)(14)thiazepin7ol
C1C(=O)N=C2C(=CNN2)C(S1)C3=C(C=CC=C3F)F
InChI=1SC12H9F2N3OSc1372138(14)10(7)1164151712(6)169(18)51911h1411H5H2(H215161718)
MFCD18162971
OC1=Nc2n(nH)cc2C(SC1)c1c(F)cccc1F
ZINC000020714880
ZINC000020714884
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